1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195)

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ChEBI Name	1,2-diheptanoyl-sn-glycero-3-phosphocholine

ChEBI ID	CHEBI:138195

ChEBI ASCII Name	1,2-diheptanoyl-sn-glycero-3-phosphocholine

Definition	A phosphatidylcholine 14:0 in which both acyl groups are specified as heptanoyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Lucila Aimo

Supplier Information

Download	Molfile XML SDF

Formula

C22H44NO8P

Net Charge

Average Mass

481.561

Monoisotopic Mass

481.28045

InChI

InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m1/s1

InChIKey

RBFSPQDASPEAID-HXUWFJFHSA-N

SMILES

P(OC[C@@H](COC(CCCCCC)=O)OC(=O)CCCCCC)(=O)(OCC[N+](C)(C)C)[O-]

Roles Classification
Chemical Role(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.

Application(s):	detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.

ChEBI Ontology
Outgoing	1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) has functional parent heptanoic acid (CHEBI:45571) 1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) has role detergent (CHEBI:27780) 1,2-diheptanoyl-sn-glycero-3-phosphocholine (CHEBI:138195) is a phosphatidylcholine 14:0 (CHEBI:137852)

IUPAC Name

(2R)-2,3-bis(heptanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Synonyms	Sources
1,2-diheptanoyl-sn-glycero-3-phosphocholine	UniProt
alpha-L-Diheptanoylphosphatidylcholine	ChemIDplus
Diheptanoyllecithin	ChemIDplus
L-alpha-Diheptanoyllecithin	ChemIDplus
L-alpha-Diheptanoylphosphatidylcholine	ChemIDplus
PC(7:0/7:0)	SUBMITTER
phosphatidylcholine (7:0/7:0)	ChEBI

Last Modified

24 October 2017